4-amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid

C5H4FN3O3 — CID 123217178

IUPAC4-amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid
SMILESNc1nc(=O)n(C(=O)O)cc1F
InChIInChI=1S/C5H4FN3O3/c6-2-1-9(5(11)12)4(10)8-3(2)7/h1H,(H,11,12)(H2,7,8,10)
InChIKeyNHZZZIJFZXSVNF-UHFFFAOYSA-N
MW173.10 g/mol
LogP-0.51
Rot. Bonds

About 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid

4-amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid (PubChem CID 123217178) has the molecular formula C5H4FN3O3 and a molecular weight of 173.10 g/mol. Its IUPAC name is 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid
PubChem CID123217178
Molecular FormulaC5H4FN3O3
Molecular Weight173.10 g/mol
Exact Mass173.02
IUPAC Name4-amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid
SMILESNc1nc(=O)n(C(=O)O)cc1F
InChIInChI=1S/C5H4FN3O3/c6-2-1-9(5(11)12)4(10)8-3(2)7/h1H,(H,11,12)(H2,7,8,10)
InChIKeyNHZZZIJFZXSVNF-UHFFFAOYSA-N
XLogP-0.51
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.10
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carboxycytosine
CID 21295150
Methyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138309
4-(Dimethylaminomethylideneamino)-5-fluoro-2-oxopyrimidine-1-carboxylic acid
CID 66955159
4-amino-5-fluoro-2-oxopyrimidine-1-carbothioic S-acid
CID 87213750
methyl 4-amino-5-fluoro-2H-pyrimidine-1-carboxylate
CID 123583017
4-Amino-5-fluoro-1-(hydroxymethyl)pyrimidin-2-one
CID 129935371
4-Amino-5-fluoro-2-oxopyrimidine-1-carboxamide
CID 174607105
4-Amino-5-methyl-2-oxopyrimidine-1-carboxylic acid
CID 142522240

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid?
The IUPAC name of 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid (CID 123217178) is 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid.
What is the SMILES notation for 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid?
The canonical SMILES for 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid is Nc1nc(=O)n(C(=O)O)cc1F.
What is the InChIKey of 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid?
The InChIKey is NHZZZIJFZXSVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FN3O3/c6-2-1-9(5(11)12)4(10)8-3(2)7/h1H,(H,11,12)(H2,7,8,10).
What are the key properties of 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid?
4-amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid has a molecular weight of 173.10 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid is sourced from PubChem (CID 123217178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).